Compile Data Set for Download or QSAR

Found 448 hits with Last Name = 'asteian' and Initial = 'a'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM161153 (US9051265, 61) Show SMILES CC(C)c1cccc(c1)[C@H](C)NC(=O)c1ccc2n(Cc3cc(O[C@@H](C)C(O)=O)ccc3Cl)c(C)c(C)c2c1 |r| Show InChI InChI=1S/C32H35ClN2O4/c1-18(2)23-8-7-9-24(14-23)20(4)34-31(36)25-10-13-30-28(16-25)19(3)21(5)35(30)17-26-15-27(11-12-29(26)33)39-22(6)32(37)38/h7-16,18,20,22H,17H2,1-6H3,(H,34,36)(H,37,38)/t20-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of 5 nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan- PPAR Green, an...				US Patent US9051265 (2015) BindingDB Entry DOI: 10.7270/Q2FT8JSW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147275 (US8957093, 97) Show SMILES CC[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C34H32N2O3/c1-4-31(26-10-6-5-7-11-26)35-33(37)27-18-19-32-30(20-27)22(2)23(3)36(32)21-24-14-16-25(17-15-24)28-12-8-9-13-29(28)34(38)39/h5-20,31H,4,21H2,1-3H3,(H,35,37)(H,38,39)/t31-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...				US Patent US8957093 (2015) BindingDB Entry DOI: 10.7270/Q2X63KNR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147275 (US8957093, 97) Show SMILES CC[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C34H32N2O3/c1-4-31(26-10-6-5-7-11-26)35-33(37)27-18-19-32-30(20-27)22(2)23(3)36(32)21-24-14-16-25(17-15-24)28-12-8-9-13-29(28)34(38)39/h5-20,31H,4,21H2,1-3H3,(H,35,37)(H,38,39)/t31-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe				ACS Med Chem Lett 6: 998-1003 (2015) Article DOI: 10.1021/acsmedchemlett.5b00218 BindingDB Entry DOI: 10.7270/Q29026SZ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM161150 (US9051265, 58 | US9051265, 98) Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3ccc(Cl)c(O[C@@H](C)C(O)=O)c3)c(C)c(C)c2c1)c1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C33H37ClN2O4/c1-19-21(3)36(18-23-8-14-28(34)30(16-23)40-22(4)32(38)39)29-15-11-25(17-27(19)29)31(37)35-20(2)24-9-12-26(13-10-24)33(5,6)7/h8-17,20,22H,18H2,1-7H3,(H,35,37)(H,38,39)/t20-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of 5 nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan- PPAR Green, an...				US Patent US9051265 (2015) BindingDB Entry DOI: 10.7270/Q2FT8JSW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM161156 (US9051265, 64 | US9051265, 99) Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3cc(O[C@@H](C)C(O)=O)ccc3Cl)c(C)c(C)c2c1)c1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C33H37ClN2O4/c1-19-21(3)36(18-25-16-27(13-14-29(25)34)40-22(4)32(38)39)30-15-10-24(17-28(19)30)31(37)35-20(2)23-8-11-26(12-9-23)33(5,6)7/h8-17,20,22H,18H2,1-7H3,(H,35,37)(H,38,39)/t20-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of 5 nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan- PPAR Green, an...				US Patent US9051265 (2015) BindingDB Entry DOI: 10.7270/Q2FT8JSW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM161155 (US9051265, 63) Show SMILES C[C@H](Oc1ccc(Cl)c(Cn2c(C)c(C)c3cc(ccc23)C(=O)N[C@@H](C)c2ccc(Br)cc2)c1)C(O)=O |r| Show InChI InChI=1S/C29H28BrClN2O4/c1-16-18(3)33(15-22-13-24(10-11-26(22)31)37-19(4)29(35)36)27-12-7-21(14-25(16)27)28(34)32-17(2)20-5-8-23(30)9-6-20/h5-14,17,19H,15H2,1-4H3,(H,32,34)(H,35,36)/t17-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of 5 nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan- PPAR Green, an...				US Patent US9051265 (2015) BindingDB Entry DOI: 10.7270/Q2FT8JSW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50306508 (4'-((2,3-dimethyl-5-(1-phenylpropylcarbamoyl)-1H-i...) Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1 Show InChI InChI=1S/C34H32N2O3/c1-4-31(26-10-6-5-7-11-26)35-33(37)27-18-19-32-30(20-27)22(2)23(3)36(32)21-24-14-16-25(17-15-24)28-12-8-9-13-29(28)34(38)39/h5-20,31H,4,21H2,1-3H3,(H,35,37)(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe				ACS Med Chem Lett 6: 998-1003 (2015) Article DOI: 10.1021/acsmedchemlett.5b00218 BindingDB Entry DOI: 10.7270/Q29026SZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147216 (US8957093, 25) Show SMILES Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NC(C)(C)c1ccccc1 Show InChI InChI=1S/C34H32N2O3/c1-22-23(2)36(21-24-14-16-25(17-15-24)28-12-8-9-13-29(28)33(38)39)31-19-18-26(20-30(22)31)32(37)35-34(3,4)27-10-6-5-7-11-27/h5-20H,21H2,1-4H3,(H,35,37)(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...				US Patent US8957093 (2015) BindingDB Entry DOI: 10.7270/Q2X63KNR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147214 (US8957093, 23) Show SMILES COc1ccc(cc1)[C@@H](C)NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1 |r| Show InChI InChI=1S/C34H32N2O4/c1-21-23(3)36(20-24-9-11-26(12-10-24)29-7-5-6-8-30(29)34(38)39)32-18-15-27(19-31(21)32)33(37)35-22(2)25-13-16-28(40-4)17-14-25/h5-19,22H,20H2,1-4H3,(H,35,37)(H,38,39)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...				US Patent US8957093 (2015) BindingDB Entry DOI: 10.7270/Q2X63KNR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147214 (US8957093, 23) Show SMILES COc1ccc(cc1)[C@@H](C)NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1 |r| Show InChI InChI=1S/C34H32N2O4/c1-21-23(3)36(20-24-9-11-26(12-10-24)29-7-5-6-8-30(29)34(38)39)32-18-15-27(19-31(21)32)33(37)35-22(2)25-13-16-28(40-4)17-14-25/h5-19,22H,20H2,1-4H3,(H,35,37)(H,38,39)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe				ACS Med Chem Lett 6: 998-1003 (2015) Article DOI: 10.1021/acsmedchemlett.5b00218 BindingDB Entry DOI: 10.7270/Q29026SZ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147221 (US8957093, 34) Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C#N)c(C)c(C)c2c1)c1ccccc1 Show InChI InChI=1S/C34H31N3O/c1-4-32(27-10-6-5-7-11-27)36-34(38)28-18-19-33-31(20-28)23(2)24(3)37(33)22-25-14-16-26(17-15-25)30-13-9-8-12-29(30)21-35/h5-20,32H,4,22H2,1-3H3,(H,36,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...				US Patent US8957093 (2015) BindingDB Entry DOI: 10.7270/Q2X63KNR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM161147 (US9051265, 55) Show SMILES CC(C)c1cccc(c1)[C@H](C)NC(=O)c1ccc2n(Cc3ccc(Cl)c(O[C@@H](C)C(O)=O)c3)c(C)c(C)c2c1 |r| Show InChI InChI=1S/C32H35ClN2O4/c1-18(2)24-8-7-9-25(15-24)20(4)34-31(36)26-11-13-29-27(16-26)19(3)21(5)35(29)17-23-10-12-28(33)30(14-23)39-22(6)32(37)38/h7-16,18,20,22H,17H2,1-6H3,(H,34,36)(H,37,38)/t20-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of 5 nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan- PPAR Green, an...				US Patent US9051265 (2015) BindingDB Entry DOI: 10.7270/Q2FT8JSW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM161148 (US9051265, 56) Show SMILES C[C@H](Oc1cc(Cn2c(C)c(C)c3cc(ccc23)C(=O)N[C@@H](C)c2cccc(c2)C2CC2)ccc1Cl)C(O)=O |r| Show InChI InChI=1S/C32H33ClN2O4/c1-18-20(3)35(17-22-8-12-28(33)30(14-22)39-21(4)32(37)38)29-13-11-26(16-27(18)29)31(36)34-19(2)24-6-5-7-25(15-24)23-9-10-23/h5-8,11-16,19,21,23H,9-10,17H2,1-4H3,(H,34,36)(H,37,38)/t19-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of 5 nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan- PPAR Green, an...				US Patent US9051265 (2015) BindingDB Entry DOI: 10.7270/Q2FT8JSW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM161154 (US9051265, 62) Show SMILES C[C@H](Oc1ccc(Cl)c(Cn2c(C)c(C)c3cc(ccc23)C(=O)N[C@@H](C)c2cccc(c2)C2CC2)c1)C(O)=O |r| Show InChI InChI=1S/C32H33ClN2O4/c1-18-20(3)35(17-26-15-27(11-12-29(26)33)39-21(4)32(37)38)30-13-10-25(16-28(18)30)31(36)34-19(2)23-6-5-7-24(14-23)22-8-9-22/h5-7,10-16,19,21-22H,8-9,17H2,1-4H3,(H,34,36)(H,37,38)/t19-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of 5 nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan- PPAR Green, an...				US Patent US9051265 (2015) BindingDB Entry DOI: 10.7270/Q2FT8JSW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147198 (US8957093, 6) Show SMILES C[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C33H29BrN2O3/c1-20-22(3)36(19-23-8-10-25(11-9-23)28-6-4-5-7-29(28)33(38)39)31-17-14-26(18-30(20)31)32(37)35-21(2)24-12-15-27(34)16-13-24/h4-18,21H,19H2,1-3H3,(H,35,37)(H,38,39)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...				US Patent US8957093 (2015) BindingDB Entry DOI: 10.7270/Q2X63KNR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM161149 (US9051265, 57) Show SMILES C[C@H](Oc1cc(Cn2c(C)c(C)c3cc(ccc23)C(=O)N[C@@H](C)c2ccc(Br)cc2)ccc1Cl)C(O)=O |r| Show InChI InChI=1S/C29H28BrClN2O4/c1-16-18(3)33(15-20-5-11-25(31)27(13-20)37-19(4)29(35)36)26-12-8-22(14-24(16)26)28(34)32-17(2)21-6-9-23(30)10-7-21/h5-14,17,19H,15H2,1-4H3,(H,32,34)(H,35,36)/t17-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of 5 nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan- PPAR Green, an...				US Patent US9051265 (2015) BindingDB Entry DOI: 10.7270/Q2FT8JSW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147198 (US8957093, 6) Show SMILES C[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C33H29BrN2O3/c1-20-22(3)36(19-23-8-10-25(11-9-23)28-6-4-5-7-29(28)33(38)39)31-17-14-26(18-30(20)31)32(37)35-21(2)24-12-15-27(34)16-13-24/h4-18,21H,19H2,1-3H3,(H,35,37)(H,38,39)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe				ACS Med Chem Lett 6: 998-1003 (2015) Article DOI: 10.1021/acsmedchemlett.5b00218 BindingDB Entry DOI: 10.7270/Q29026SZ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147291 (US8957093, 113) Show SMILES C[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C33H29FN2O3/c1-20-22(3)36(19-23-8-10-25(11-9-23)28-6-4-5-7-29(28)33(38)39)31-17-14-26(18-30(20)31)32(37)35-21(2)24-12-15-27(34)16-13-24/h4-18,21H,19H2,1-3H3,(H,35,37)(H,38,39)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe				ACS Med Chem Lett 6: 998-1003 (2015) Article DOI: 10.1021/acsmedchemlett.5b00218 BindingDB Entry DOI: 10.7270/Q29026SZ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147292 (US8957093, 114) Show SMILES CCC[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C35H34N2O3/c1-4-10-32(27-11-6-5-7-12-27)36-34(38)28-19-20-33-31(21-28)23(2)24(3)37(33)22-25-15-17-26(18-16-25)29-13-8-9-14-30(29)35(39)40/h5-9,11-21,32H,4,10,22H2,1-3H3,(H,36,38)(H,39,40)/t32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...				US Patent US8957093 (2015) BindingDB Entry DOI: 10.7270/Q2X63KNR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147291 (US8957093, 113) Show SMILES C[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C33H29FN2O3/c1-20-22(3)36(19-23-8-10-25(11-9-23)28-6-4-5-7-29(28)33(38)39)31-17-14-26(18-30(20)31)32(37)35-21(2)24-12-15-27(34)16-13-24/h4-18,21H,19H2,1-3H3,(H,35,37)(H,38,39)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...				US Patent US8957093 (2015) BindingDB Entry DOI: 10.7270/Q2X63KNR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147210 (US8957093, 19) Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1 |r| Show InChI InChI=1S/C34H32N2O4/c1-21-23(3)36(20-24-9-11-26(12-10-24)29-7-5-6-8-30(29)34(38)39)32-18-15-27(19-31(21)32)33(37)35-22(2)25-13-16-28(40-4)17-14-25/h5-19,22H,20H2,1-4H3,(H,35,37)(H,38,39)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe				ACS Med Chem Lett 6: 998-1003 (2015) Article DOI: 10.1021/acsmedchemlett.5b00218 BindingDB Entry DOI: 10.7270/Q29026SZ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147210 (US8957093, 19) Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1 |r| Show InChI InChI=1S/C34H32N2O4/c1-21-23(3)36(20-24-9-11-26(12-10-24)29-7-5-6-8-30(29)34(38)39)32-18-15-27(19-31(21)32)33(37)35-22(2)25-13-16-28(40-4)17-14-25/h5-19,22H,20H2,1-4H3,(H,35,37)(H,38,39)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...				US Patent US8957093 (2015) BindingDB Entry DOI: 10.7270/Q2X63KNR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147442 (US8957093, 296) Show SMILES C[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1cccc(Br)c1 |r| Show InChI InChI=1S/C33H29BrN2O3/c1-20-22(3)36(19-23-11-13-24(14-12-23)28-9-4-5-10-29(28)33(38)39)31-16-15-26(18-30(20)31)32(37)35-21(2)25-7-6-8-27(34)17-25/h4-18,21H,19H2,1-3H3,(H,35,37)(H,38,39)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...				US Patent US8957093 (2015) BindingDB Entry DOI: 10.7270/Q2X63KNR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147330 (US8957093, 162) Show SMILES C[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3)c(C)c(C)c2c1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C32H29ClN2O/c1-21-23(3)35(20-24-12-14-26(15-13-24)25-8-5-4-6-9-25)31-17-16-28(19-30(21)31)32(36)34-22(2)27-10-7-11-29(33)18-27/h4-19,22H,20H2,1-3H3,(H,34,36)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...				US Patent US8957093 (2015) BindingDB Entry DOI: 10.7270/Q2X63KNR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM161111 (US9051265, 17) Show SMILES C[C@@H](NC(=O)c1ccc2n(Cc3ccc(F)cc3F)ccc2c1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H19F3N2O/c1-15(16-2-6-20(25)7-3-16)28-24(30)18-5-9-23-17(12-18)10-11-29(23)14-19-4-8-21(26)13-22(19)27/h2-13,15H,14H2,1H3,(H,28,30)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of 5 nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan- PPAR Green, an...				US Patent US9051265 (2015) BindingDB Entry DOI: 10.7270/Q2FT8JSW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM161115 (US9051265, 21) Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(F)cc3F)c(C)c(C)c2c1)c1ccccc1 Show InChI InChI=1S/C27H26F2N2O/c1-4-25(19-8-6-5-7-9-19)30-27(32)20-11-13-26-23(14-20)17(2)18(3)31(26)16-21-10-12-22(28)15-24(21)29/h5-15,25H,4,16H2,1-3H3,(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of 5 nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan- PPAR Green, an...				US Patent US9051265 (2015) BindingDB Entry DOI: 10.7270/Q2FT8JSW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM161102 (US9051265, 8) Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(F)cc3F)ccc2c1)c1ccccc1 Show InChI InChI=1S/C25H22F2N2O/c1-2-23(17-6-4-3-5-7-17)28-25(30)19-9-11-24-18(14-19)12-13-29(24)16-20-8-10-21(26)15-22(20)27/h3-15,23H,2,16H2,1H3,(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of 5 nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan- PPAR Green, an...				US Patent US9051265 (2015) BindingDB Entry DOI: 10.7270/Q2FT8JSW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147327 (US8957093, 159) Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3)c(C)c(C)c2c1)c1ccccc1Cl |r| Show InChI InChI=1S/C32H29ClN2O/c1-21-23(3)35(20-24-13-15-26(16-14-24)25-9-5-4-6-10-25)31-18-17-27(19-29(21)31)32(36)34-22(2)28-11-7-8-12-30(28)33/h4-19,22H,20H2,1-3H3,(H,34,36)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...				US Patent US8957093 (2015) BindingDB Entry DOI: 10.7270/Q2X63KNR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147263 (US8957093, 83) Show SMILES Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1cccs1 Show InChI InChI=1S/C30H26N2O3S/c1-19-20(2)32(18-21-9-11-22(12-10-21)25-7-3-4-8-26(25)30(34)35)28-14-13-23(16-27(19)28)29(33)31-17-24-6-5-15-36-24/h3-16H,17-18H2,1-2H3,(H,31,33)(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe				ACS Med Chem Lett 6: 998-1003 (2015) Article DOI: 10.1021/acsmedchemlett.5b00218 BindingDB Entry DOI: 10.7270/Q29026SZ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147416 (US8957093, 254) Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1Br |r| Show InChI InChI=1S/C33H29BrN2O3/c1-20-22(3)36(19-23-12-14-24(15-13-23)27-9-4-5-10-28(27)33(38)39)31-17-16-25(18-29(20)31)32(37)35-21(2)26-8-6-7-11-30(26)34/h4-18,21H,19H2,1-3H3,(H,35,37)(H,38,39)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe				ACS Med Chem Lett 6: 998-1003 (2015) Article DOI: 10.1021/acsmedchemlett.5b00218 BindingDB Entry DOI: 10.7270/Q29026SZ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50306515 (4'-((5-(benzylcarbamoyl)-2,3-dimethyl-1H-indol-1-y...) Show SMILES Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C32H28N2O3/c1-21-22(2)34(20-24-12-14-25(15-13-24)27-10-6-7-11-28(27)32(36)37)30-17-16-26(18-29(21)30)31(35)33-19-23-8-4-3-5-9-23/h3-18H,19-20H2,1-2H3,(H,33,35)(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe				ACS Med Chem Lett 6: 998-1003 (2015) Article DOI: 10.1021/acsmedchemlett.5b00218 BindingDB Entry DOI: 10.7270/Q29026SZ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147334 (US8957093, 166) Show SMILES CC(C)c1cccc(c1)[C@@H](C)NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3)c(C)c(C)c2c1 |r| Show InChI InChI=1S/C35H36N2O/c1-23(2)30-12-9-13-31(20-30)25(4)36-35(38)32-18-19-34-33(21-32)24(3)26(5)37(34)22-27-14-16-29(17-15-27)28-10-7-6-8-11-28/h6-21,23,25H,22H2,1-5H3,(H,36,38)/t25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...				US Patent US8957093 (2015) BindingDB Entry DOI: 10.7270/Q2X63KNR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147346 (US8957093, 180) Show SMILES Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1)C(=O)NC(C)(C)c1ccc(Br)cc1 Show InChI InChI=1S/C33H31BrN2O/c1-22-23(2)36(21-24-10-12-26(13-11-24)25-8-6-5-7-9-25)31-19-14-27(20-30(22)31)32(37)35-33(3,4)28-15-17-29(34)18-16-28/h5-20H,21H2,1-4H3,(H,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...				US Patent US8957093 (2015) BindingDB Entry DOI: 10.7270/Q2X63KNR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147350 (US8957093, 187) Show SMILES C[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c(C)c(C)c2c1)c1cccc(Br)c1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...				US Patent US8957093 (2015) BindingDB Entry DOI: 10.7270/Q2X63KNR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147370 (US8957093, 207) Show SMILES C[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C34H29F3N2O3/c1-20-22(3)39(19-23-12-14-24(15-13-23)27-9-4-5-10-28(27)33(41)42)31-17-16-25(18-29(20)31)32(40)38-21(2)26-8-6-7-11-30(26)34(35,36)37/h4-18,21H,19H2,1-3H3,(H,38,40)(H,41,42)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...				US Patent US8957093 (2015) BindingDB Entry DOI: 10.7270/Q2X63KNR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147397 (US8957093, 234) Show SMILES C[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3)c(C)c(C)c2c1)c1ccc(c(F)c1)C(F)(F)F |r| Show InChI InChI=1S/C33H28F4N2O/c1-20-22(3)39(19-23-9-11-25(12-10-23)24-7-5-4-6-8-24)31-16-14-27(17-28(20)31)32(40)38-21(2)26-13-15-29(30(34)18-26)33(35,36)37/h4-18,21H,19H2,1-3H3,(H,38,40)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...				US Patent US8957093 (2015) BindingDB Entry DOI: 10.7270/Q2X63KNR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147416 (US8957093, 254) Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1Br |r| Show InChI InChI=1S/C33H29BrN2O3/c1-20-22(3)36(19-23-12-14-24(15-13-23)27-9-4-5-10-28(27)33(38)39)31-17-16-25(18-29(20)31)32(37)35-21(2)26-8-6-7-11-30(26)34/h4-18,21H,19H2,1-3H3,(H,35,37)(H,38,39)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...				US Patent US8957093 (2015) BindingDB Entry DOI: 10.7270/Q2X63KNR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147434 (US8957093, 272) Show SMILES CC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1cccc(n1)C1CC1 Show InChI InChI=1S/C35H33N3O3/c1-21-23(3)38(20-24-11-13-25(14-12-24)28-7-4-5-8-29(28)35(40)41)33-18-17-27(19-30(21)33)34(39)36-22(2)31-9-6-10-32(37-31)26-15-16-26/h4-14,17-19,22,26H,15-16,20H2,1-3H3,(H,36,39)(H,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...				US Patent US8957093 (2015) BindingDB Entry DOI: 10.7270/Q2X63KNR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147263 (US8957093, 83) Show SMILES Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1cccs1 Show InChI InChI=1S/C30H26N2O3S/c1-19-20(2)32(18-21-9-11-22(12-10-21)25-7-3-4-8-26(25)30(34)35)28-14-13-23(16-27(19)28)29(33)31-17-24-6-5-15-36-24/h3-16H,17-18H2,1-2H3,(H,31,33)(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...				US Patent US8957093 (2015) BindingDB Entry DOI: 10.7270/Q2X63KNR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50306515 (4'-((5-(benzylcarbamoyl)-2,3-dimethyl-1H-indol-1-y...) Show SMILES Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C32H28N2O3/c1-21-22(2)34(20-24-12-14-25(15-13-24)27-10-6-7-11-28(27)32(36)37)30-17-16-26(18-29(21)30)31(35)33-19-23-8-4-3-5-9-23/h3-18H,19-20H2,1-2H3,(H,33,35)(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...				US Patent US8957093 (2015) BindingDB Entry DOI: 10.7270/Q2X63KNR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147313 (US8957093, 145) Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3)c(C)c(C)c2c1)c1cccc(F)c1C |r| Show InChI InChI=1S/C33H31FN2O/c1-21-24(4)36(20-25-13-15-27(16-14-25)26-9-6-5-7-10-26)32-18-17-28(19-30(21)32)33(37)35-23(3)29-11-8-12-31(34)22(29)2/h5-19,23H,20H2,1-4H3,(H,35,37)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...				US Patent US8957093 (2015) BindingDB Entry DOI: 10.7270/Q2X63KNR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147324 (US8957093, 156) Show SMILES CC(C)[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3)c(C)c(C)c2c1)c1cccc(c1)C(C)C |r| Show InChI InChI=1S/C37H40N2O/c1-24(2)31-13-10-14-32(21-31)36(25(3)4)38-37(40)33-19-20-35-34(22-33)26(5)27(6)39(35)23-28-15-17-30(18-16-28)29-11-8-7-9-12-29/h7-22,24-25,36H,23H2,1-6H3,(H,38,40)/t36-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...				US Patent US8957093 (2015) BindingDB Entry DOI: 10.7270/Q2X63KNR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM161157 (US9051265, 65) Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3cc(O[C@@H](C)C(O)=O)ccc3Cl)c(C)c(C)c2c1)c1cccc(c1)C(C)(C)C |r| Show InChI InChI=1S/C33H37ClN2O4/c1-19-21(3)36(18-25-16-27(12-13-29(25)34)40-22(4)32(38)39)30-14-11-24(17-28(19)30)31(37)35-20(2)23-9-8-10-26(15-23)33(5,6)7/h8-17,20,22H,18H2,1-7H3,(H,35,37)(H,38,39)/t20-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of 5 nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan- PPAR Green, an...				US Patent US9051265 (2015) BindingDB Entry DOI: 10.7270/Q2FT8JSW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM161151 (US9051265, 59) Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3ccc(Cl)c(O[C@@H](C)C(O)=O)c3)c(C)c(C)c2c1)c1cccc(c1)C(C)(C)C |r| Show InChI InChI=1S/C33H37ClN2O4/c1-19-21(3)36(18-23-11-13-28(34)30(15-23)40-22(4)32(38)39)29-14-12-25(17-27(19)29)31(37)35-20(2)24-9-8-10-26(16-24)33(5,6)7/h8-17,20,22H,18H2,1-7H3,(H,35,37)(H,38,39)/t20-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of 5 nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan- PPAR Green, an...				US Patent US9051265 (2015) BindingDB Entry DOI: 10.7270/Q2FT8JSW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147252 (US8957093, 72) Show SMILES C[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C33H29N3O5/c1-20-22(3)35(19-23-8-10-25(11-9-23)28-6-4-5-7-29(28)33(38)39)31-17-14-26(18-30(20)31)32(37)34-21(2)24-12-15-27(16-13-24)36(40)41/h4-18,21H,19H2,1-3H3,(H,34,37)(H,38,39)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe				ACS Med Chem Lett 6: 998-1003 (2015) Article DOI: 10.1021/acsmedchemlett.5b00218 BindingDB Entry DOI: 10.7270/Q29026SZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147329 (US8957093, 161) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3)c(C)c(C)c2c1 |r| Show InChI InChI=1S/C33H32N2O2/c1-22-24(3)35(21-25-13-15-27(16-14-25)26-9-6-5-7-10-26)32-18-17-29(20-31(22)32)33(36)34-23(2)28-11-8-12-30(19-28)37-4/h5-20,23H,21H2,1-4H3,(H,34,36)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...				US Patent US8957093 (2015) BindingDB Entry DOI: 10.7270/Q2X63KNR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147387 (US8957093, 224) Show SMILES COc1cc(ccc1[C@@H](C)NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)C(F)(F)F |r| Show InChI InChI=1S/C35H31F3N2O4/c1-20-22(3)40(19-23-9-11-24(12-10-23)28-7-5-6-8-29(28)34(42)43)31-16-13-25(17-30(20)31)33(41)39-21(2)27-15-14-26(35(36,37)38)18-32(27)44-4/h5-18,21H,19H2,1-4H3,(H,39,41)(H,42,43)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...				US Patent US8957093 (2015) BindingDB Entry DOI: 10.7270/Q2X63KNR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147394 (US8957093, 231) Show SMILES C[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3)c(C)c(C)c2c1)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C33H28ClF3N2O/c1-20-22(3)39(19-23-12-14-25(15-13-23)24-8-5-4-6-9-24)30-17-16-26(18-28(20)30)32(40)38-21(2)27-10-7-11-29(31(27)34)33(35,36)37/h4-18,21H,19H2,1-3H3,(H,38,40)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...				US Patent US8957093 (2015) BindingDB Entry DOI: 10.7270/Q2X63KNR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147422 (US8957093, 260) Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccc(Br)cn1 |r| Show InChI InChI=1S/C32H28BrN3O3/c1-19-21(3)36(18-22-8-10-23(11-9-22)26-6-4-5-7-27(26)32(38)39)30-15-12-24(16-28(19)30)31(37)35-20(2)29-14-13-25(33)17-34-29/h4-17,20H,18H2,1-3H3,(H,35,37)(H,38,39)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...				US Patent US8957093 (2015) BindingDB Entry DOI: 10.7270/Q2X63KNR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM147433 (US8957093, 271) Show SMILES C[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1cccc(Br)n1 |r| Show InChI InChI=1S/C32H28BrN3O3/c1-19-21(3)36(18-22-11-13-23(14-12-22)25-7-4-5-8-26(25)32(38)39)29-16-15-24(17-27(19)29)31(37)34-20(2)28-9-6-10-30(33)35-28/h4-17,20H,18H2,1-3H3,(H,34,37)(H,38,39)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...				US Patent US8957093 (2015) BindingDB Entry DOI: 10.7270/Q2X63KNR
					More data for this Ligand-Target Pair

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